1,4-bis(1-tert-butylperoxypropan-2-yl)benzene

C20H34O4 — CID 18405812

IUPAC1,4-bis(1-tert-butylperoxypropan-2-yl)benzene
SMILESCC(COOC(C)(C)C)c1ccc(C(C)COOC(C)(C)C)cc1
InChIInChI=1S/C20H34O4/c1-15(13-21-23-19(3,4)5)17-9-11-18(12-10-17)16(2)14-22-24-20(6,7)8/h9-12,15-16H,13-14H2,1-8H3
InChIKeyRYWHNRHHIPBDGP-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.39
Rot. Bonds8

About 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene

1,4-bis(1-tert-butylperoxypropan-2-yl)benzene (PubChem CID 18405812) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1,4-bis(1-tert-butylperoxypropan-2-yl)benzene
PubChem CID18405812
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name1,4-bis(1-tert-butylperoxypropan-2-yl)benzene
SMILESCC(COOC(C)(C)C)c1ccc(C(C)COOC(C)(C)C)cc1
InChIInChI=1S/C20H34O4/c1-15(13-21-23-19(3,4)5)17-9-11-18(12-10-17)16(2)14-22-24-20(6,7)8/h9-12,15-16H,13-14H2,1-8H3
InChIKeyRYWHNRHHIPBDGP-UHFFFAOYSA-N
XLogP5.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene?
The IUPAC name of 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene (CID 18405812) is 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene.
What is the SMILES notation for 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene?
The canonical SMILES for 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene is CC(COOC(C)(C)C)c1ccc(C(C)COOC(C)(C)C)cc1.
What is the InChIKey of 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene?
The InChIKey is RYWHNRHHIPBDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-15(13-21-23-19(3,4)5)17-9-11-18(12-10-17)16(2)14-22-24-20(6,7)8/h9-12,15-16H,13-14H2,1-8H3.
What are the key properties of 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene?
1,4-bis(1-tert-butylperoxypropan-2-yl)benzene has a molecular weight of 338.49 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1-tert-butylperoxypropan-2-yl)benzene is sourced from PubChem (CID 18405812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).